N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide

C21H23ClFNO — CID 58842573

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(c2ccccc2F)CCCCC1
InChIInChI=1S/C21H23ClFNO/c22-17-10-8-16(9-11-17)12-15-24-20(25)21(13-4-1-5-14-21)18-6-2-3-7-19(18)23/h2-3,6-11H,1,4-5,12-15H2,(H,24,25)
InChIKeyIYNGYIPAQPRDFA-UHFFFAOYSA-N
MW359.87 g/mol
LogP5.04
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 58842573) has the molecular formula C21H23ClFNO and a molecular weight of 359.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID58842573
Molecular FormulaC21H23ClFNO
Molecular Weight359.87 g/mol
Exact Mass359.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(c2ccccc2F)CCCCC1
InChIInChI=1S/C21H23ClFNO/c22-17-10-8-16(9-11-17)12-15-24-20(25)21(13-4-1-5-14-21)18-6-2-3-7-19(18)23/h2-3,6-11H,1,4-5,12-15H2,(H,24,25)
InChIKeyIYNGYIPAQPRDFA-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.87
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4'-Chloro-3-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 57890345
4'-Chloro-2-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 60130264
N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 24684626
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 53364234
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 56676958
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 56680284
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 56680285
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 56683606
2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 828501
2-(4-chlorophenyl)-N-cycloheptylacetamide
CID 875700

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide (CID 58842573) is N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1(c2ccccc2F)CCCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is IYNGYIPAQPRDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO/c22-17-10-8-16(9-11-17)12-15-24-20(25)21(13-4-1-5-14-21)18-6-2-3-7-19(18)23/h2-3,6-11H,1,4-5,12-15H2,(H,24,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 359.87 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 58842573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).